FN Archimer Export Format
PT J
TI PyCO2SYS v1.8: marine carbonate system calculations in Python
BT 
AF HUMPHREYS, Matthew P.
   LEWIS, Ernie R.
   SHARP, Jonathan D.
   PIERROT, Denis
AS 1:1;2:2;3:3,4;4:5;
FF 1:;2:;3:;4:;
C1 NIOZ Royal Netherlands Inst Sea Res, Dept Ocean Syst OCS, Texel, Netherlands.
   Brookhaven Natl Lab, Environm & Climate Sci Dept, Upton, NY 11973, USA.
   Univ Washington, Cooperat Inst Climate Ocean & Ecosystem Studies, Seattle, WA 98195, USA.
   Natl Ocean & Atmospher Adm, Pacif Marine Environm Lab, Seattle, WA, USA.
   Natl Ocean & Atmospher Adm, Atlant Oceanog & Meteorol Lab, Miami, FL, USA.
C2 INST SEA RESEARCH (NIOZ), NETHERLANDS
   BROOKHAVEN NATL LAB, USA
   UNIV WASHINGTON, USA
   NOAA, USA
   NOAA, USA
IN DOAJ
IF 5.1
TC 30
UR https://archimer.ifremer.fr/doc/00755/86716/92194.pdf
   https://archimer.ifremer.fr/doc/00755/86716/92195.pdf
LA English
DT Article
CR OISO - OCÉAN INDIEN SERVICE D'OBSERVATION
AB Oceanic dissolved inorganic carbon (T-C) is the largest pool of carbon that substantially interacts with the atmosphere on human timescales. Oceanic T-C is increasing through uptake of anthropogenic carbon dioxide (CO2), and seawater pH is decreasing as a consequence. Both the exchange of CO2 between the ocean and atmosphere and the pH response are governed by a set of parameters that interact through chemical equilibria, collectively known as the marine carbonate system. To investigate these processes, at least two of the marine carbonate system's parameters are typically measured - most commonly, two from T-C, total alkalinity (A(T)), pH, and seawater CO2 fugacity (f(CO2); or its partial pressure, p(CO2), or its dry-air mole fraction, x(CO2)) - from which the remaining parameters can be calculated and the equilibrium state of seawater solved. Several software tools exist to carry out these calculations, but no fully functional and rigorously validated tool written in Python, a popular scientific programming language, was previously available. Here, we present PyCO2SYS, a Python package intended to fill this capability gap. We describe the elements of PyCO2SYS that have been inherited from the existing CO2SYS family of software and explain subsequent adjustments and improvements. For example, PyCO2SYS uses automatic differentiation to solve the marine carbonate system and calculate chemical buffer factors, ensuring that the effect of every modelled solute and reaction is accurately included in all its results. We validate PyCO2SYS with internal consistency tests and comparisons against other software, showing that PyCO2SYS produces results that are either virtually identical or different for known reasons, with the differences negligible for all practical purposes. We discuss insights that guided the development of PyCO2SYS: for example, the fact that the marine carbonate system cannot be unambiguously solved from certain pairs of parameters. Finally, we consider potential future developments to PyCO2SYS and discuss the outlook for this and other software for solving the marine carbonate system. The code for PyCO2SYS is distributed via GitHub (https://github.com/mvdh7/PyCO2SYS, last access: 23 December 2021) under the GNU General Public License v3, archived on Zenodo , and documented online (https://pyco2sys.readthedocs.io/en/latest/, last access: 23 December 2021).
PY 2022
PD JAN
SO Geoscientific Model Development
SN 1991-959X
PU Copernicus Gesellschaft Mbh
VL 15
IS 1
UT 000739379700001
BP 15
EP 43
DI 10.5194/gmd-15-15-2022
ID 86716
ER

EF